3-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide

C11H15NO2S — CID 112660294

IUPAC3-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
SMILESCSCCN(C)C(=O)c1cccc(O)c1
InChIInChI=1S/C11H15NO2S/c1-12(6-7-15-2)11(14)9-4-3-5-10(13)8-9/h3-5,8,13H,6-7H2,1-2H3
InChIKeyAKZXNSAKQSCEAT-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.83
Rot. Bonds4

About 3-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide

3-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide (PubChem CID 112660294) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
PubChem CID112660294
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name3-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
SMILESCSCCN(C)C(=O)c1cccc(O)c1
InChIInChI=1S/C11H15NO2S/c1-12(6-7-15-2)11(14)9-4-3-5-10(13)8-9/h3-5,8,13H,6-7H2,1-2H3
InChIKeyAKZXNSAKQSCEAT-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(dimethylamino)methyl]-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 74242906
3-hydroxy-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 113366826
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112663392
3-hydroxy-N-methyl-N-(2-methylsulfanyl-2-sulfanylethyl)benzamide
CID 123688287
3-chloro-4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112698184
4-[methyl(2-methylsulfanylethyl)carbamoyl]benzoic acid
CID 112555217
3-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60891416
4-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)benzamide
CID 112656332
3-chloro-4-iodo-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 103747389
3,5-diamino-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656301
4-amino-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656326
N-(2-bromopropyl)-3-hydroxy-N-methylbenzamide
CID 80665697

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide?
The IUPAC name of 3-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide (CID 112660294) is 3-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide.
What is the SMILES notation for 3-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide?
The canonical SMILES for 3-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide is CSCCN(C)C(=O)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide?
The InChIKey is AKZXNSAKQSCEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-12(6-7-15-2)11(14)9-4-3-5-10(13)8-9/h3-5,8,13H,6-7H2,1-2H3.
What are the key properties of 3-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide?
3-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide has a molecular weight of 225.31 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide is sourced from PubChem (CID 112660294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).